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Removes output files from results if they should not exist #42

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Sep 27, 2024
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Update openfe_gromacs/protocols/gromacs_md/md_methods.py
Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
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hannahbaumann and IAlibay authored Sep 27, 2024
commit b252bb20e95584b1560614752045625956bb6cbd
4 changes: 2 additions & 2 deletions openfe_gromacs/protocols/gromacs_md/md_methods.py
Original file line number Diff line number Diff line change
@@ -169,8 +169,8 @@ def _get_filenames(self, file_type) -> list[pathlib.Path]:
for pus in self.data.values()
if "GromacsMDRunUnit" in pus[0].source_key and file_type in pus[0].outputs
]
if len(file_paths) == 0:
file_paths = None
if not file_paths:
return None

return file_paths

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